2-chloroethyl ethyl sulfide: a mustard gas analogue

A Zawadski, S Parsons

Research output: Contribution to journalArticlepeer-review


2-Chloroethyl ethyl sulfide (Cl-CH2-CH2-S-CH2-CH3 or C4H9ClS) is used as an analogue for mustard gas in biomedical studies. The Cl-C-C-S and the two C-C-S-C torsion angles are -177.38 (9), 83.17 (14) and 73.81 (16)degrees, respectively, and are similar to values that have been predicted, by ab initio quantum calculations, for the corresponding parameters in mustard gas. There are no strong intermolecular interactions, and the packing in the crystal structure bears some resemblance to hexagonal close packing.

Original languageEnglish
Pages (from-to)O225-O227
Number of pages3
JournalActa Crystallographica Section E: Structure Reports Online
Publication statusPublished - Feb 2004


Dive into the research topics of '2-chloroethyl ethyl sulfide: a mustard gas analogue'. Together they form a unique fingerprint.

Cite this